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1005349-13-2 | 2-Pyrazinamine, 3-ethynyl-
CAS No: 1005349-13-2 Catalog No: AG00029E MDL No:MFCD09999143
Product Description
Catalog Number:
AG00029E
Chemical Name:
2-Pyrazinamine, 3-ethynyl-
CAS Number:
1005349-13-2
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD09999143
IUPAC Name:
3-ethynylpyrazin-2-amine
InChI:
InChI=1S/C6H5N3/c1-2-5-6(7)9-4-3-8-5/h1,3-4H,(H2,7,9)
InChI Key:
JIXOVARXVOUXKF-UHFFFAOYSA-N
SMILES:
C#Cc1nccnc1N
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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